Our proposed research concerns computer-assisted structure elucidation of organic compounds of biological importance. We propose to make a quantum jump in both performance of existing and new programs and their availability to a nationwide community of biomedical scientists. We will build more powerful programs (basing our efforts on the solid foundation of programs developed under earlier grant support by: a) assembling a Semi-Automated Structure Elucidation System (SASES) which will act as a computer-based "laboratory" for carrying out experiments involving computer representation and manipulation of chemical structures, including structure elucidation, spectral data interpretation and prediction and conformational analysis to establish relationships between three-dimensional structures and their biological and chemical properties (structure/property relationships); b) developing at the heart of SASES the GENOA program, a method for structure Generation with Overlapping Atoms, which will include as a component our existing CONGEN program; c) developing a method for constrained generation of molecular conformations; and d) extending our topological structure representations to include both configurational and conformational stereochemistry and infusing proper treatment of stereochemistry throughout our computer programs. We will increase the availability of our programs to the outside community through resource sharing in the following ways: a) through a dedicated computer system which will exploit the proposed relationship of our work to the SUMEX-AIM computer resource; b) by continuing to develop exportable versions of our programs; and, c) by holding intensive workshops to introduce other research groups to our techniques.